N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

C13H15F3N2O2S — CID 2592012

IUPACN-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-2-6-17-12(20)18-11(19)8-21-10-5-3-4-9(7-10)13(14,15)16/h3-5,7H,2,6,8H2,1H3,(H2,17,18,19,20)
InChIKeyJPOBIYHWORJUCV-UHFFFAOYSA-N
MW320.34 g/mol
LogP3.03
Rot. Bonds5

About N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide

N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (PubChem CID 2592012) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
PubChem CID2592012
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC NameN-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
SMILESCCCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2S/c1-2-6-17-12(20)18-11(19)8-21-10-5-3-4-9(7-10)13(14,15)16/h3-5,7H,2,6,8H2,1H3,(H2,17,18,19,20)
InChIKeyJPOBIYHWORJUCV-UHFFFAOYSA-N
XLogP3.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)acetamide
CID 2591492
N-(ethylcarbamoyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 2591666
N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591947
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591982
N-(methylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591984
N-(ethylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591998
3-Cyclopentyl-1-{2-[(2,5-dimethylphenyl)sulfanyl]acetyl}urea
CID 2639878
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 2999687
N-(benzylcarbamoyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2082334
N-carbamoyl-2-[3-(trifluoromethyl)phenyl]sulfanylpropanamide
CID 2998998
4-[3-(Trifluoromethyl)phenyl]sulfanylazetidin-2-one
CID 118526787
2-(2,4-dimethylphenyl)sulfanyl-N-(propylcarbamoyl)acetamide
CID 2616407

Frequently Asked Questions

What is the IUPAC name of N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The IUPAC name of N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide (CID 2592012) is N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide.
What is the SMILES notation for N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The canonical SMILES for N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is CCCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
The InChIKey is JPOBIYHWORJUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c1-2-6-17-12(20)18-11(19)8-21-10-5-3-4-9(7-10)13(14,15)16/h3-5,7H,2,6,8H2,1H3,(H2,17,18,19,20).
What are the key properties of N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide?
N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide has a molecular weight of 320.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide is sourced from PubChem (CID 2592012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).